SCHEMBL29952020

SCHEMBL29952020

COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.61
▸ CNR2 P34972 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TSHR P16473 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KCNA5 P22460 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ AVPR1B P47901 6/20 0.49
▸ OXTR P30559 3/20 0.49
▸ AVPR1A P37288 3/20 0.49
▸ MMP1 P03956 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ PSEN1 P49768 2/20 0.48
▸ PSEN2 P49810 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15798156 0.94 CNR1 (0.70) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL29953233 0.88 L3MBTL1 (0.57) CNR1CNR2L3MBTL1TSHRMEN1
SCHEMBL12260289 0.82 TAS2R14 (0.67) CNR1CNR2TAS2R14PTGES
SCHEMBL29955588 0.82 TAS2R14 (0.53) CNR1CNR2ALDH1A1TAS2R14PTGES
SCHEMBL15208353 0.79 BMP1 (0.59) MMP9MMP13TAS2R14PTGES
SCHEMBL29951825 0.79 TAS2R14 (0.70) CNR1CNR2TAS2R14PTGES
SCHEMBL29950855 0.78 TAS2R14 (0.49) CNR1CNR2TAS2R14PTGES
SCHEMBL12260294 0.78 TAS2R14 (0.72) CNR1CNR2TAS2R14PTGES
SCHEMBL29952334 0.76 CNR2 (0.65) CNR1CNR2TAS2R14PTGES
SCHEMBL20847546 0.75 HDAC6 (0.61) CNR1CNR2L3MBTL1TSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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